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Substance Name: Thioketal haloperidol
RN: 150176-80-0
InChIKey: KVDKNVPAAQKHKD-UHFFFAOYSA-N

Note

  • Ligand of HIV protease.

Molecular Formula

  • C23-H27-Cl-F-N-O-S2

Molecular Weight

  • 452.055
 
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Names and Synonyms

Name of Substance

  • Thioketal haloperidol

Synonym

  • 4-(4-Chlorophenyl)-1-(3-(2-(4-fluorophenyl)-1,3-dithiolan-2-yl)propyl)-4-piperidinol

Systematic Name

  • 4-Piperidinol, 4-(4-chlorophenyl)-1-(3-(2-(4-fluorophenyl)-1,3-dithiolan-2-yl)propyl)-

Registry Numbers

CAS Registry Number

  • 150176-80-0

System Generated Number

  • 0150176800

Structure Descriptors

InChI

InChI=1S/C23H27ClFNOS2/c24-20-6-2-18(3-7-20)22(27)11-14-26(15-12-22)13-1-10-23(28-16-17-29-23)19-4-8-21(25)9-5-19/h2-9,27H,1,10-17H2

InChIKey

KVDKNVPAAQKHKD-UHFFFAOYSA-N

Smiles

OC1(CCN(CCCC2(SCCS2)c3ccc(F)cc3)CC1)c4ccc(Cl)cc4